Ethyl acetoacetate (BioDeep_00000005226)
Secondary id: BioDeep_00001867798
human metabolite Endogenous Chemicals and Drugs Antibiotics
代谢物信息卡片
化学式: C6H10O3 (130.063)
中文名称: 乙酰乙酸乙酯, 乙酰乙酸乙酯(EAA)
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCOC(=O)CC(=O)C
InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
描述信息
Ethyl acetoacetate (EAA) is found in coffee and coffee products as well as in strawberry and yellow passion fruit juice. Ethyl acetoacetate is a flavouring agent. The organic compound ethyl acetoacetate is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine, aminopyrine, and vitamin B1, as well as in the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments (Wikipedia).
The organic compound ethyl acetoacetate (EAA) is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine and aminopyrine, and vitamin B1; as well as the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments. Alone, it is used as a flavoring for food.
同义名列表
43 个代谢物同义名
Ethyl acetoacetate, 1,3-(14)C-labeled; Ethyl acetoacetate, 2,4-(14)C-labeled; Ethyl acetoacetate, 1,2-(14)C-labeled; Ethyl acetoacetate, 2-(14)C-labeled; Ethyl acetoacetate, 3-(14)C-labeled; Ethyl 3-oxidanylidenebutanoic acid; Ethyl acetoacetate, 14c4-labeled; 3-Oxobutanoic acid ethyl ester; Ethyl 3-oxidanylidenebutanoate; 3-Ketobutyric acid ethyl ester; 3-Oxobutyric acid ethyl ester; Acetoacetic acid ethyl ester; Ethyl beta-ketobutyric acid; Ethyl 3-hydroxy-2-butenoate; 3-Ketobutyrate ethyl ester; 3-Oxobutanoate ethyl ester; 3-Oxobutyrate ethyl ester; Ethyl acetylacetonic acid; Active acetyl acetic acid; Ethyl acetyl acetic acid; Ethyl 3-oxobutanoic acid; Ethyl β-ketobutyric acid; 1-Ethoxybutane-1,3-dione; Acetoacetate ethyl ester; Ethyl b-ketobutyric acid; Ethyl acetylacetic acid; Ethyl beta-ketobutyrate; Ethyl 3-oxobutyric acid; Ethyl acetoacetic acid; Ethyl acetylacetonate; Active acetyl acetate; Ethyl b-ketobutyrate; Ethyl acetyl acetate; Ethyl β-ketobutyrate; Ethyl 3-oxobutanoate; Ethyl acetylacetate; Ethyl 3-oxobutyrate; ethyl acetoacetate; Diacetic ether; FEMA 2415; EAA; Ethyl 3-oxobutanoate; Ethyl acetoacetate
数据库引用编号
17 个数据库交叉引用编号
- ChEBI: CHEBI:4893
- KEGG: C03500
- PubChem: 8868
- HMDB: HMDB0031216
- Metlin: METLIN65988
- ChEMBL: CHEMBL169176
- Wikipedia: Ethyl_acetoacetate
- MetaCyc: ETHYL-ACETOACETATE
- foodb: FDB003241
- chemspider: 13865426
- CAS: 141-97-9
- PMhub: MS000017960
- PubChem: 6312
- PDB-CCD: EAC
- NIKKAJI: J4.493H
- RefMet: Ethyl 3-oxobutanoate
- KNApSAcK: 4893
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
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Materials science & engineering. C, Materials for biological applications.
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2018 Aug; 33(5):913-918. doi:
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PloS one.
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10.1371/journal.pone.0033376. [PMID: 22428036] - Jasmin Shah, M Rasul Jan, Sultan Shah, M Naeem. Spectrofluorimetric protocol for ceftriaxone in commercial formulation and human plasma after condensation with formaldehyde and ethyl acetoacetate.
Journal of fluorescence.
2011 Nov; 21(6):2155-63. doi:
10.1007/s10895-011-0917-0. [PMID: 21748238] - Jeck Fei Ng, Stephan Jaenicke, Klaus Eisele, Jan Dorn, Tanja Weil. cBSA-147 for the preparation of bacterial biofilms in a microchannel reactor.
Biointerphases.
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10.1116/1.3474475. [PMID: 21171712] - Soumya S Bhattacharyya, Saili Paul, Sushil K Mandal, Antara Banerjee, Naoual Boujedaini, Anisur R Khuda-Bukhsh. A synthetic coumarin (4-methyl-7 hydroxy coumarin) has anti-cancer potentials against DMBA-induced skin cancer in mice.
European journal of pharmacology.
2009 Jul; 614(1-3):128-36. doi:
10.1016/j.ejphar.2009.04.015. [PMID: 19393233] - Kemal Ahmed, Gonfa Ayana, Ephrem Engidawork. Lead exposure study among workers in lead acid battery repair units of transport service enterprises, Addis Ababa, Ethiopia: a cross-sectional study.
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2008 Nov; 3(?):30. doi:
10.1186/1745-6673-3-30. [PMID: 19040746] - T Hashimoto, M Suganuma, H Fujiki, M Yamada, T Kohno, Y Asakawa. Isolation and synthesis of TNF-alpha release inhibitors from Fijian kawa (Piper methysticum).
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10.1093/oxfordjournals.jbchem.a021271. [PMID: 8830047] - W M Cook, R Purchase, G P Ford, D M Creasy, P G Brantom, S D Gangolli. A 28-day feeding study with ethyl acetoacetate in rats.
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